Information card for entry 7106670

Structure parameters

• Common name: C0-Rh-1
• Chemical name: 4-Phenylpyridine-coordinated rhodium 5,10,15,20-tetraphenylporphyrin chloride
• Formula: C61 H49 Cl N5 O2 Rh
• Calculated formula: C61 H49 Cl N5 O2 Rh
• SMILES: c12=C(c3ccc4C(=c5ccc6C(=c7ccc8=C(c(cc1)[n]2[Rh](Cl)(n78)([n]56)(n34)[n]1ccc(cc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CC(=O)C.CC(=O)C
• Title of publication: Comparison of Molecular Conductance between Planer and Twisted 4-Phenylpyridine by using Two-dimensional Phase Separation of Tetraphenylporphyrin Templates at Liquid-HOPG Interface
• Authors of publication: Takeshi Sakano; Kenji Higashiguchi; Kenji Matsuda
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8427
• a: 17.559 ± 0.0008 Å
• b: 15.5831 ± 0.0007 Å
• c: 18.4654 ± 0.0008 Å
• α: 90°
• β: 105.247 ± 0.001°
• γ: 90°
• Cell volume: 4874.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No